Diflucortolone 21-valerate mixture with isoconazole nitrate
TL;DR: Diflucortolone 21-valerate mixture with isoconazole nitrate (CAS 83394-44-9) is a chemical compound with molecular formula C45H51Cl4F2N3O9 and molecular weight 955.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;[2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate;nitric acid
Also Known As: Travocort, KST-1B8821, Diflucortolone 21-valerate mixture with isoconazole nitrate, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;[2-[(6s,8s,10s,11s,13s,14s,16r,17s)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate; nitric acid, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;[2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate;nitric acid
| Molecular Formula | C45H51Cl4F2N3O9 |
|---|---|
| Molecular Weight | 955.23 g/mol |
| LogP | 10.577 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 955.23474 |
| Heavy Atoms | 63 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 83394-44-9 |
|---|---|
| SMILES | CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C.C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-] |
| InChIKey | UPINRYVXYNYCOF-UESYANRNSA-N |
Product Overview
Diflucortolone 21-valerate mixture with isoconazole nitrate (CAS 83394-44-9), with molecular formula C45H51Cl4F2N3O9 and molecular weight 955.23 g/mol. IUPAC: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;[2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate;nitric acid.
Chemical Property Profile of Diflucortolone 21-valerate mixture with isoconazole nitrate
Property Insights of Diflucortolone 21-valerate mixture with isoconazole nitrate
The XLogP value of 10.577 indicates that Diflucortolone 21-valerate mixture with isoconazole nitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting Diflucortolone 21-valerate mixture with isoconazole nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diflucortolone 21-valerate mixture with isoconazole nitrate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diflucortolone 21-valerate mixture with isoconazole nitrate?
The CAS number of Diflucortolone 21-valerate mixture with isoconazole nitrate is 83394-44-9.
What is the molecular formula of Diflucortolone 21-valerate mixture with isoconazole nitrate?
The molecular formula of Diflucortolone 21-valerate mixture with isoconazole nitrate is C45H51Cl4F2N3O9.
What is the molecular weight of Diflucortolone 21-valerate mixture with isoconazole nitrate?
The molecular weight of Diflucortolone 21-valerate mixture with isoconazole nitrate is 955.23 g/mol.
Where can I buy Diflucortolone 21-valerate mixture with isoconazole nitrate?
You can request a quote for Diflucortolone 21-valerate mixture with isoconazole nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diflucortolone 21-valerate mixture with isoconazole nitrate?
Yes, KEHONG BIO provides custom synthesis services for Diflucortolone 21-valerate mixture with isoconazole nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.